CID 5278915

(2r)-2-methyl-6-nitro-2-[[4-[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-1-piperidyl]phenoxy]methyl]-3h-imidazo[2,1-b]oxazole

Structural Information

Molecular Formula
C29H33F3N6O5
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)N5CCN(CC5)C6=CC=C(C=C6)OC(F)(F)F
InChI
InChI=1S/C29H33F3N6O5/c1-28(19-37-18-26(38(39)40)33-27(37)43-28)20-41-24-6-2-21(3-7-24)34-12-10-23(11-13-34)36-16-14-35(15-17-36)22-4-8-25(9-5-22)42-29(30,31)32/h2-9,18,23H,10-17,19-20H2,1H3/t28-/m1/s1
InChIKey
BCAOZEBCSLDATN-MUUNZHRXSA-N
Compound name
(2R)-2-methyl-6-nitro-2-[[4-[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

602.24646 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.25374 235.8
[M+Na]+ 625.23568 236.1
[M-H]- 601.23918 241.8
[M+NH4]+ 620.28028 233.8
[M+K]+ 641.20962 227.4
[M+H-H2O]+ 585.24372 223.3
[M+HCOO]- 647.24466 238.6
[M+CH3COO]- 661.26031 249.6
[M+Na-2H]- 623.22113 233.7
[M]+ 602.24591 227.0
[M]- 602.24701 227.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe